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refs #4201 ConvertUnits modified to recognize ConvBy/From TOF
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In addition, algorithm selection routine changed and separated into parts, working with own users input unit each.
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@abuts
abuts committed Dec 5, 2011
1 parent 7729ef9 commit e6e6541
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Showing 4 changed files with 403 additions and 469 deletions.
52 changes: 30 additions & 22 deletions Code/Mantid/Framework/MDAlgorithms/inc/MantidMDAlgorithms/ConvertToMDEvents.h
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Original file line number Diff line number Diff line change
Expand Up @@ -56,7 +56,8 @@ namespace MDAlgorithms
// signature for a fucntion, creating n-dimension workspace
//typedef boost::function<API::IMDEventWorkspace_sptr (ConvertToMDEvents*, const std::vector<std::string> &,const std::vector<std::string> &, size_t ,size_t ,size_t )> pWSCreator;
typedef boost::function<API::IMDEventWorkspace_sptr (ConvertToMDEvents*, size_t ,size_t ,size_t )> pWSCreator;

// vectors of strings are here everywhere
typedef std::vector<std::string> Strings;
// known sates for algorithms, caluclating Q-values
enum Q_state{
NoQ,
Expand All @@ -73,8 +74,10 @@ namespace MDAlgorithms
// enum describes if there is need to convert workspace units
enum CnvrtUnits
{
ConvertNo, // no, input workspace has the same units as output workspace
ConvertYes // yes, the input workspace has different units from the requested and the conversion is possible
ConvertNo, // no, input workspace has the same units as output workspace or in units used by Q-dE algorithms naturally
ConvertFast, // the input workspace has different units from the requested and fast conversion is possible
ConvByTOF, // conversion possible via TOF
ConvFromTOF // units are the TOF
};
//
class DLLExport ConvertToMDEvents : public API::Algorithm
Expand Down Expand Up @@ -121,19 +124,26 @@ namespace MDAlgorithms
/// minimal and maximal values for the workspace dimensions:
std::vector<double> dim_min,dim_max;
// the names for the target workspace dimensions and properties of input MD workspace
std::vector<std::string> dim_names;
std::vector<std::string> targ_dim_names;
// the units of target workspace dimensions and properties of input MD workspace dimensions
std::vector<std::string> dim_units;
std::vector<std::string> targ_dim_units;
protected: //for testing
/** function returns the list of names, which can be treated as dimensions present in current matrix workspace */
std::vector<std::string > getDimensionNames(API::MatrixWorkspace_const_sptr inMatrixWS,std::vector<std::string>& ws_dim_names, std::vector<std::string> &ws_units)const;
/** The function to identify the target dimensions and target uints which can be obtained from workspace dimensions */
void getDimensionNamesFromWSMatrix(API::MatrixWorkspace_const_sptr inMatrixWS,std::vector<std::string> &ws_dimensions,std::vector<std::string> &ws_units)const;

/** function parses arguments entered by user, and identifies, which subalgorithm should be deployed on WS matrix as function of the input artuments and WS format */
/** function returns the list of the property names, which can be treated as additional dimensions present in current matrix workspace */
void getAddDimensionNames(API::MatrixWorkspace_const_sptr inMatrixWS,std::vector<std::string> &add_dim_names,std::vector<std::string> &add_dim_units)const;

/** function parses arguments entered by user, and identifies, which subalgorithm should be deployed on WS matrix as function of the input artuments and the WS format */
std::string identifyMatrixAlg(API::MatrixWorkspace_const_sptr inMatrixWS,const std::string &Q_mode_req, const std::string &dE_mode_req,
std::vector<std::string> &out_dim_names);
std::vector<std::string> &out_dim_names,std::vector<std::string> &out_dim_units);

// Parts of the identifyMatrixAlg, separated for unit testing:
std::string parseQMode(const std::string &Q_mode_req,const Strings &ws_dim_names,const Strings &ws_dim_units,Strings &out_dim_names,Strings &out_dim_units, int &nQdims);
std::string parseDEMode(const std::string &Q_MODE_ID,const std::string &dE_mode_req,const Strings &ws_dim_names,const Strings &ws_dim_units,Strings &out_dim_names,
Strings &out_dim_units, int &ndE_dims,std::string &natural_units);
std::string parseConvMode(const std::string &Q_MODE_ID,const std::string &natural_units,const Strings &ws_dim_names,const Strings &ws_dim_units);

/** identifies conversion subalgorithm to run on a workspace */
std::string identifyTheAlg(API::MatrixWorkspace_const_sptr inMatrixWS,const std::string &Q_mode_req, const std::string &dE_mode_req,
const std::vector<std::string> &other_dim_names,std::vector<std::string> &targ_dim_names,std::vector<std::string> &targ_dim_units);
/** function extracts the coordinates from additional workspace porperties and places them to proper position within array of coodinates */
void fillAddProperties(std::vector<coord_t> &Coord,size_t nd,size_t n_ws_properties);

Expand Down Expand Up @@ -170,21 +180,19 @@ namespace MDAlgorithms
template<size_t nd>
API::IMDEventWorkspace_sptr createEmptyEventWS(size_t split_into,size_t split_threshold,size_t split_maxDepth);

// known momentum analysis modes;
// known momentum analysis modes ID-s;
std::vector<std::string> Q_modes;
// known energy transfer modes
// known energy transfer modes ID-s
std::vector<std::string> dE_modes;
// conversion modes
std::vector<std::string> Conv;
// the ID of the unit, which is used in the expression to converty to QND. All other related elastic units should be converted to this one.
std::string native_elastic_unitID;
// the list of known elastic units.
std::vector<std::string> known_elastic_units;
// known conversion modes ID-s
std::vector<std::string> ConvModes;

// the ID of the unit, which is used in the expression to converty to QND. All other related elastic units should be converted to this one.
std::string native_elastic_unitID_Cryst;
std::string native_elastic_unitID_Powder;
// the ID of the unit, which is used in the expression to converty to QND. All other related inelastic units should be converted to this one.
std::string native_inelastic_unitID;
// the list of known inelastic units.
std::vector<std::string> known_inelastic_units;




Expand Down
6 changes: 3 additions & 3 deletions Code/Mantid/Framework/MDAlgorithms/inc/MantidMDAlgorithms/ConvertToMDEventsMethodsTemplate.h
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Original file line number Diff line number Diff line change
Expand Up @@ -93,7 +93,7 @@ ConvertToMDEvents::createEmptyEventWS(size_t split_into,size_t split_threshold,s
// Give all the dimensions
for (size_t d=0; d<nd; d++)
{
Geometry::MDHistoDimension * dim = new Geometry::MDHistoDimension(this->dim_names[d], this->dim_names[d], this->dim_units[d], dim_min[d], dim_min[d], 10);
Geometry::MDHistoDimension * dim = new Geometry::MDHistoDimension(this->targ_dim_names[d], this->targ_dim_names[d], this->targ_dim_units[d], dim_min[d], dim_min[d], 10);
ws->addDimension(Geometry::MDHistoDimension_sptr(dim));
}
ws->initialize();
Expand Down Expand Up @@ -247,7 +247,7 @@ inline double k_trans<Indir>(double Ei, double E_tr){
return (coord_t)(0.5*(X1+X2));
}
template<>
inline coord_t get_x_converted<ConvertYes>(double X1,double X2,const double factor,const double power)
inline coord_t get_x_converted<ConvertFast>(double X1,double X2,const double factor,const double power)
{
double Xm=0.5*(X1+X2);
return Xm=(coord_t)(factor*std::pow(Xm,power));
Expand Down Expand Up @@ -286,7 +286,7 @@ struct coord_transformer<Q3D,MODE,CONV>
ki=sqrt(Ei/PhysicalConstants::E_mev_toNeutronWavenumberSq);
//
rotMat = pHost->get_transf_matrix();
if(CONV==ConvertYes){
if(CONV==ConvertFast){
const Kernel::Unit_sptr pThisUnit=pHost->inWS2D->getAxis(0)->unit();
prepare_conversion<MODE>(pThisUnit.get(),factor,power);
}
Expand Down

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